Real-space parallel density matrix renormalization group with adaptive boundaries

• 作者: Fu-Zhou Chen Chen Cheng Hong-Gang Luo
• 来源期刊: 中国物理B（英文版）
• 年，卷（期）: 2021,（8）
• 所属期刊栏目: GENERAL
• 页码范围: 214-221
• 页数: 8页
• 语种: 英文
• DOI: 10.1088/1674-1056/abeb08

摘要

We propose an improved real-space parallel strategy for the density matrix renormalization group (DMRG) method,where boundaries of separate regions are adaptively distributed during DMRG sweeps.Our scheme greatly improves the parallel efficiency with shorter waiting time between two adjacent tasks,compared with the original real-space parallel DMRG with fixed boundaries.We implement our new strategy based on the message passing interface (MPI),and dynam-ically control the number of kept states according to the truncation error in each DMRG step.We study the performance of the new parallel strategy by calculating the ground state of a spin-cluster chain and a quantum chemical Hamiltonian of the water molecule.The maximum parallel efficiencies for these two models are 91％ and 76％ in 4 nodes,which are much higher than the real-space parallel DMRG with fixed boundaries.